SCHEMBL18659162

SCHEMBL18659162

Brc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2c1cc1c3c(cccc23)-c2ccccc2-1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.40
▸ HKDC1 Q2TB90 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ KEAP1 Q14145 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35
▸ PTPRC P08575 1/20 0.34
▸ BCL2 P10415 1/20 0.31
▸ PABPC1 P11940 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20173170 1.00 PDK2 (0.40) PDK2HKDC1ALDH1A1TSHRMAPK1
SCHEMBL20173161 0.92 HKDC1 (0.40) PDK2HKDC1ALDH1A1TSHRMAPK1
SCHEMBL26658225 0.88 PDK2 (0.41) PDK2PTPRCCA1CA2CA4
SCHEMBL20173160 0.83 HKDC1 (0.45) PDK2HKDC1ALDH1A1TSHRMAPK1
SCHEMBL19395218 0.83 PDK2 (0.41) PDK2ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL19395220 0.83 PDK2 (0.41) PDK2ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL12495754 0.82 HKDC1 (0.41) PDK2HKDC1ALDH1A1TSHRMAPK1
SCHEMBL18659438 0.82 HKDC1 (0.32) PDK2HKDC1
SCHEMBL20173162 0.82 HKDC1 (0.44) PDK2HKDC1ALDH1A1TSHRMAPK1
SCHEMBL19797306 0.82 PDK2 (0.41) PDK2ALDH1A1MAPK1HPGDPTPRC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 — — US disclosed
WO-2017047993-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME 주식회사 엘지화학 2017-03-23 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 PDK2 2535/4885HKDC1 4333/4885ALDH1A1 87/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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